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1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C82H94N10O3S2 — CID 158844623

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1C(=O)Nc2ccccc21.CC(C)c1cnc2ccccn12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/C11H13NO.C11H12O.C11H12S.2C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3-7,10H,1-2H3,(H,12,13);4*3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyIYQYZQUEEUTNER-UHFFFAOYSA-N
MW1331.85 g/mol
LogP23.26
Rot. Bonds8

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158844623) has the molecular formula C82H94N10O3S2 and a molecular weight of 1331.85 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158844623
Molecular FormulaC82H94N10O3S2
Molecular Weight1331.85 g/mol
Exact Mass1330.70
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1C(=O)Nc2ccccc21.CC(C)c1cnc2ccccn12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/C11H13NO.C11H12O.C11H12S.2C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3-7,10H,1-2H3,(H,12,13);4*3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyIYQYZQUEEUTNER-UHFFFAOYSA-N
XLogP23.26
TPSA146.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.85
LogP ≤ 523.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 158844623) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C1C(=O)Nc2ccccc21.CC(C)c1cnc2ccccn12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IYQYZQUEEUTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H12O.C11H12S.2C10H12N2.C10H11NO.C10H11NS.C9H11N3/c1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h3-7,10H,1-2H3,(H,12,13);4*3-8H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1331.85 g/mol, XLogP of 23.26, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158844623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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